4-ethylheptanoic acid | 132735-95-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-ethylheptanoic acid
• CAS: 132735-95-6
• 化学式: C₉H₁₈O₂
• mdl: MFCD02258627
• 分子量: 158.241
• InChiKey: RCVXVULZIOSNEI-UHFFFAOYSA-N

物化性质

• 沸点：
  253.4±8.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氯己烷 在 碘 、 magnesium 、 1,2-二溴乙烷 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 6.0h， 生成 4-ethylheptanoic acid
  参考文献：
  名称：

  外消旋 4-乙基脂肪酸的简便合成

  摘要：

  报道了外消旋 4-乙基脂肪酸的合成。首先通过 3-氯代烷烃与镁反应制备格氏试剂，然后在催化剂 Li2CuCl4 存在下，通过将格氏试剂与 3-溴丙酸甲酯偶联合成 4-乙基脂肪酸甲酯。将4-乙基脂肪酸甲酯皂化，然后酸化，得到4-乙基脂肪酸。描述了4-乙基己酸、4-乙基庚酸、4-乙基辛酸、4-乙基壬酸和4-乙基癸酸的合成。4-乙基脂肪酸甲酯和4-乙基脂肪酸的结构经1H NMR、13C NMR和HRMS证实。

  DOI：

  10.3184/174751912x13402672600994

文献信息

• ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：SANOFI

  公开号：US20140088158A1

  公开（公告）日：2014-03-27

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及公式I的化合物，其中A、Y、Z、R20至R22和R50具有所述权利要求中所示的含义，它们是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也称为LPA1受体，并且对于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病有用。本发明还涉及公式I化合物的制备方法、它们的用途以及包含它们的药物组合物。
• INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR
  申请人：Kao Corporation

  公开号：EP1553411A1

  公开（公告）日：2005-07-13

  An indicator material for assessing body odor of the present invention comprises at least one member selected from the group consisting of a substance (A) which is a β-hydroxycarboxylic acid compound represented by the formula (1), a substance (B) which is a derivative of the compound represented by the formula (1), a substance (C) which is an alcohol compound having a mercapto group at the 3-position represented by the formula (2),and a substance (D) which is a derivative of the compound represented by the formula (2). The present invention also provides a method of producing the compound represented by the formula (2) by incubating perspiration originated from a human in an environment with an oxygen concentration of 10 v/v% or less. The present invention also provides a kit for assessing body odor of a human, wherein the kit for assessing body odor of a human includes a coloration reagent which reacts with β-hydroxycarboxylic acid originated from perspiration of a human. wherein R1 is an alkyl having 1 to 4 carbons; R2 is a hydrogen atom or an alkyl having 1 to 4 carbons, and the total number of carbons in the formula (1) is 10 or less; wherein R3 is a hydrogen atom or methyl group; R4 is an alkyl group having 1 to 3 carbons; and R5 is a hydrogen atom or a methyl group, the total number of carbons is 8 or less.

  本发明的一种用于评估体味的指示剂材料包括至少一种选自以下组成的成员：一种物质（A），它是β-羟基羧酸化合物，由式（1）表示；一种物质（B），它是由式（1）表示的化合物的衍生物；一种物质（C），它是由式（2）表示的在3-位上具有巯基的醇化合物；以及一种物质（D），它是由式（2）表示的化合物的衍生物。本发明还提供了一种通过在氧气浓度为 10 v/v% 或更低的环境中培养人的汗液来生产式（2）所代表的化合物的方法。本发明还提供了一种用于评估人的体味的试剂盒，其中用于评估人的体味的试剂盒包括一种与源自人的汗液的β-羟基羧酸反应的着色试剂。 其中 R1 是具有 1 至 4 个碳原子的烷基；R2 是氢原子或具有 1 至 4 个碳原子的烷基，且式（1）中的碳原子总数为 10 或更少； 其中 R3 是氢原子或甲基；R4 是具有 1 至 3 个碳原子的烷基；R5 是氢原子或甲基，碳原子总数为 8 或更少。
• REFRIGERATING MACHINE OIL AND WORKING FLUID COMPOSITION FOR REFRIGERATING MACHINES
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2610329A1

  公开（公告）日：2013-07-03

  The refrigerating machine oil of the invention includes an ester of a polyhydric alcohol and a fatty acid, wherein the molar ratio of C4-C6 fatty acid and C7-C9 branched fatty acid in the fatty acid is between 15:85 and 90:10, the C4-C6 fatty acid includes 2-methylpropanoic acid, and the ratio of the total C4-C6 fatty acid and C7-C9 branched fatty acid in the total fatty acids composing the ester is at least 20 mol%. The working fluid composition for a refrigerating machine according to the invention comprises the refrigerating machine oil, a difluoromethane refrigerant and/or an unsaturated fluorinated hydrocarbon refrigerant.

  本发明的冷冻机油包括多元醇和脂肪酸的酯，其中脂肪酸中C4-C6脂肪酸和C7-C9支链脂肪酸的摩尔比在15:85和90:10之间，C4-C6脂肪酸包括2-甲基丙酸，组成酯的总脂肪酸中C4-C6脂肪酸和C7-C9支链脂肪酸的比例至少为20 mol%。根据本发明，用于制冷机的工作液组合物包括制冷机油、二氟甲烷制冷剂和/或不饱和氟化碳氢化合物制冷剂。
• REFRIGERATOR OIL COMPOSITION, METHOD FOR PRODUCING SAME, AND WORKING FLUID COMPOSITION FOR REFRIGERATORS
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2818537A1

  公开（公告）日：2014-12-31

  A refrigerating machine oil composition comprising at least one ester additive selected from tetraesters of pentaerythritol and one selected from fatty acids having 5 to 18 carbon atoms and hexaesters of dipentaerythritol and one selected from fatty acids having 5 to 18 carbon atoms, and a base oil that is an ester other than the ester additive, in which the content of the ester additive is 2 to 20 mass% based on the total amount of the refrigerating machine oil composition, and the kinematic viscosity of the refrigerating machine oil composition at 40°C is 3 to 500 mm2/s.

  一种冷冻机油组合物，包含至少一种酯类添加剂，选自季戊四醇四酯和一种选自具有 5 至 18 个碳原子的脂肪酸，以及季戊四醇六酯和一种选自具有 5 至 18 个碳原子的脂肪酸、以及除酯类添加剂之外的酯类基础油，其中酯类添加剂的含量为冷冻机油组合物总量的 2 至 20%，且冷冻机油组合物在 40°C 时的运动粘度为 3 至 500 mm2/s。
• REFRIGERATION CYCLE DEVICE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：EP3730569A1

  公开（公告）日：2020-10-28

  There is provided a refrigeration cycle apparatus in which good lubricity can be achieved when a refrigeration cycle is performed using a refrigerant having a sufficiently low GWP. The refrigeration cycle apparatus contains a refrigerating oil and a refrigerant composition containing a refrigerant containing trans-1,2-difluoroethylene (HFO-1132(E)), trifluoroethylene (HFO-1123), and 2,3,3,3-tetrafluoro-1-propene (R1234yf).

  本发明提供了一种制冷循环装置，当使用具有足够低全球升温潜能值的制冷剂进行制冷循环时，该装置可实现良好的润滑性。该制冷循环装置包含制冷油和制冷剂组合物，其中制冷剂组合物包含反式-1,2-二氟乙烯（HFO-1132(E)）、三氟乙烯（HFO-1123）和 2,3,3,3-四氟-1-丙烯（R1234yf）。